Magnetic susceptibility of the V<Subscript>15</Subscript> nanocluster in megagauss magnetic fields

The low-temperature behavior of the magnetic susceptibility of the V₁₅ low-spin cluster in ultrastrong magnetic fields of up to 550 T was studied. Ultrastrong magnetic fields were generated by an MK-1 magnetic explosion generator. Anomalies in the susceptibility were found to exist in fields B₁=200 T and B₂=350 T. It is concluded that these anomalies indicate the initial phase of a field-induced transformation of the cluster magnetic structure from quasi-ferrimagnetic to ferromagnetic. This transformation occurs by discrete quantum jumps at low temperatures. The experimental data are compared with theory.     

Theory of localized magnetic moments in metals I finite cluster approach

The origin of localized magnetic moments formation in metals is investigated theoretically using a self-consistent local spin density molecular cluster approach. Clusters with up to 55 atoms are employed to describe isolated impurity local moment behavior in the cases of Fe$\text{Ag}$ and Fe$\text{Pd}$. Densities of states and spin magnetic moments were determined and compared with results of spectroscopic (notably photoemission) and magnetization measurements, respectively. In the case of a noble metal host, the spin magnetization density is found to be highly localized around the Fe site; the iron moment is ≈ 3.9μ_B and the polarization of the host Ag atoms is small. In the case of a transition metal host, the iron moment is ≈ 3.2 μ_B but here the strong hybridization of the Fe-3d and Pd-4d states results in a large induced magnetic moment in the host PD metal — in essential agreement with experiment for this giant moment system.     

Quantum transitions and magnetization of the magnetic V15 cluster in strong magnetic fields

The process of rearrangement of the magnetic structure of the low-spin cluster V₁₅ in superhigh magnetic fields is investigated. At low temperatures, this process is shown to manifest itself as three quantum jumps, each of which is a transition causing the spin of the complex to increase by two unities. The nature of these quantum jumps is discussed. The magnetization curve and the magnetic susceptibility are calculated.     

Mössbauer spectroscopy of the new iron oxide Fe3B7O13(OH)

In order to investigate the electronic state, the local structure, and the magnetic structure of a new ion oxide Fe₃B₇O₁₃(OH), we have applied ⁵⁷Fe Mössbauer spectroscopy. The room-temperature values of isomer shift and quadrupole splitting are 1.16 mm/s and 3.21 mm/s, respectively, which indicate that the Fe ions are in high spin Fe^2?+? state. The spectrum at 4.2 K is composed of a well-resolved hyperfine sextet with the hyperfine field of 3.6 T. In a trimer, each Fe^2?+? magnetic moment is supposed to be directed from Fe^2?+? to OH^???.     

Etude de la structure magnetique et de la transition de typr “spin-flop” de Rb2FeF5

The nature of the magnetic interactions in the chain compound Rb₂FeF₅ has been investigated using neutron diffraction and magnetic measurements under high applied fields. Rb₂FeF₅ orders antiferromagnetically at T_N = 8.0 ± 0.5 K; the magnetic structure is of the A_Z + G_X mode and the moment of the Fe³⁺ ion extrapoled to 0K is 3.5 ± 0.2 μ_B, this low value being due to zero-point spin reduction. Within a chain the Fe³⁺ ions are antiferromagnetically coupled with an exchange constant of J/k = ?8.8 K. A spin-flop behavior has been observed and interpreted on the basis of the molecular field theory. The critical field was found to be H_C = 65 kOe at 1.7 K.     

The evolution of electronic configuration and magnetic characterization of Fe<Subscript>9</Subscript>Ni<Subscript>1</Subscript>, Fe<Subscript>8</Subscript>Ni<Subscript>2</Subscript> alloy in theoretical calculation

To analyze the origin of the magnetic enhancement of Fe-Ni alloy, the electronicconfigurations and magnetic properties were investigated using density functional theorybased on the first-principle. The supercell (5 × 1 × 1) of Fe,Fe₉Ni₁ and Fe₈Ni₂ were constructed. Thedefect formation energy, band structure, density of states and electron density differencewere calculated. The results showed that Ni doping changed the electronic configuration ofFe atoms, resulting in the enhancement of spin polarization of Fe and the larger Bohrmagnetic moment in Fe-Ni alloys (Fe₉Ni₁). The results showed thatthe charge transfer and the atomic spacing between Fe atoms and the dopant Ni atoms playedan important role in determination of magnetic moment. The value of Fe supercell(5 × 1 × 1), Fe₉Ni₁ and Fe₈Ni₂ were 23.14,23.34 and 22.61μ _B, respectively.     

Magnetic properties of the cyclic spincluster Fe6:bicine

The magnetic properties of the cyclic compound [Fe₆(bicine)₆] LiClO₄ ^. 2MeOH are reported. The cluster Fe₆(bicine)₆ forms an antiferromagnetically coupled ring structure of Fe ^III ions. The magnetic susceptibility is measured between 2 and 300 K and yields the exchange coupling of J/k _B = - 27.5±0.5 K. The field dependence of the magnetic moment is studied at 3 and 6 K in magnetic fields up to 5 T. The zero-field splitting of the first excited spin states with S = 2 and 3 are determined by ESR at 94 GHz. The intra-molecular interactions of the Fe ^III ions are analyzed and the on-site anisotropy of the Fe ^III due to the ligand-configuration is determined to d /k _B = - 0.633±0.008K. Received 28 October 2002 / Received in final form 22 February 2003 Published online 20 June 2003 RID="a" ID="a"e-mail: bernd@piobelix.physik.uni-karlsruhe.de     

密度泛函理论研究BnNi(n=6—12)团簇的结构和磁性

基于第一性原理,用密度泛函理论中的广义梯度近似(generalized gradient approximation,GGA)方法,在充分考虑自旋多重度的前提下,优化并得到了B_n(n=6—12)和B_nNi(n=6—12)团簇的平衡构型,按照能量最低原理确定其基态结构. B_n团簇的计算结果与已有的理论结果相一致. 当Ni原子掺杂在B_n团簇 关键词： nNi团簇')" href="#">B_nNi团簇 基态结构 磁性     

Magnetic behaviour of TbMnFe

Neutron diffraction and M?ssbauer measurements have been carried out on the cubic Laves phase intermetallic TbMnFe. The magnetic moment on the transition metal atom is found to be low, 0.2μ _B, at room temperature. This moment is temperature independent down to 10 K. Magnetic moment on the rare earth atom varies from 2.5μ _B at 296 K to 7.27μ _B at 10 K. M?ssbauer spectra recorded at 298 K and 78 K have magnetic character but there is a large distribution of hyperfine field values. Both these features arise due to magnetic frustration created in the sample due to the competing ferro and antiferromagnetic interactions between the transition metal atoms.     

Magnetic state and properties of the Fe0.5TiSe2 intercalation compound

The Fe_0.5TiSe₂ compound with a monoclinic crystal structure has been prepared by intercalation of Fe atoms between Se-Ti-Se sandwiches in the layered structure of TiSe₂. The crystal and magnetic structures, electrical resistivity, and magnetization of the Fe_0.5TiSe₂ compound have been investigated. According to the neutron diffraction data, the Fe_0.5TiSe₂ compound has a tilted antiferromagnetic structure at temperatures below the Néel temperature of 135 K, in which the magnetic moments of Fe atoms are antiferromagnetically ordered inside layers and located at an angle of approximately 74.4° with respect to the layer plane. The magnetic moment of Fe atoms is equal to (2.98 ± 0.05)μ_B. The antiferromagnetic ordering is accompanied by anisotropic spontaneous magnetostrictive distortions of the crystal lattice, which is associated with the spin-orbit interaction and the effect of the crystal field.     

New magnetic states in copper metaborate CuB<Subscript>2</Subscript>O<Subscript>4</Subscript>

The static and resonance properties of copper metaborate CuB₂O₄ were experimentally studied in a magnetic field applied in the crystal tetragonal plane. The field-induced second-order phase transition to a weakly ferromagnetic state was observed in the temperature range 10–20 K. The low-field state is characterized by the absence of spontaneous moment, and it represents, presumably, a long-period helicoid. At temperatures below 2 K, two sequential first-order phase transitions were observed. They were accompanied by jumps in resonance absorption with a hysteresis upon changing field-scan direction. These transitions can be caused by the transformation of the incommensurate spin structure into the helicoidal states with periods commensurate with the lattice translation period.     

Magnetic ordering in uranium monophosphide

The magnetic ordering in uranium monophosphide (UP) has been studied by neutron diffraction from a single crystal in a magnetic field. UP orders at T_N ? 122 ± 0.1 K with the type-I antiferromagnetic structure (+-+-), the ordering taking place in a first-order transition. At T₀ = 22.5 K the ordered magnetic moment jumps from 1.7 μ_B to 1.9 μ_B. With a magnetic field H = 25 kOe applied along the [11&#x0304;10] direction, it is found that UP has the collinear single-$\text{K}$ type-I structure above T₀ and undergoes a first-order transition to the planar double-$\text{K}$ type-I structure, accompanied by a “moment jump” due to the change in the moment direction from <001> to <110>.     

Spin relaxation of Mn ions in (CdMn)Te/(CdMg)Te quantum wells under picosecond optical pumping

Spin relaxation of Mn ions in a Cd_0.97Mn_0.03Te/Cd_0.75Mg_0.25Te quantum well with photogenerated quasi-two-dimensional electron-hole plasma at liquid helium temperatures in an external magnetic field has been investigated. Heating of Mn ions by photogenerated carriers due to spin and energy exchange between the hot electron-hole plasma and Mn ions through direct sd-interaction between electron and Mn spins has been detected. This process has a short characteristic time of about 4 ns, which leads to appreciable heating of the Mn spin subsystem in about 0.5 ns. Even under uniform excitation of a dense electron-hole plasma, the Mn heating is spatially nonuniform, and leads to formation of spin domains in the quantum well magnetic subsystem. The relaxation time of spin domains after pulsed excitation is measured to be about 70 ns. Energy relaxation of excitons in the random exchange potential due to spin domains results from exciton diffusion in magnetic field B=14 T with a characteristic time of 1 to 4 ns. The relaxation time decreases with decreasing optical pump power, which indicates smaller dimensions of spin domains. In weak magnetic fields (_B=2 T) a slow down in the exciton diffusion to 15 ns has been detected. This slow down is due to exciton binding to neutral donors (formation of bound excitons) and smaller spin domain amplitudes in low magnetic fields. The optically determined spin-lattice relaxation time of Mn ions in a magnetic field of 14 T is 270±10 and 16±7 ns for Mn concentrations of 3% and 12%, respectively. Zh. éksp. Teor. Fiz. 112, 1440–1463 (October 1997)     

Enhanced non-metallic behavior on the verge of magnetic instability in Fe2V1−xNbxAl Heusler alloys

Structural, magnetic and transport behavior of Nb substituted Fe₂VAl alloys have been investigated in the present work. From the detailed analysis of these data it is observed that Nb content promotes a lattice expansion in L2₁ super-structure of Fe₂VAl. Magnetization data suggest that un-doped Fe₂VAl exhibits cluster glass behavior with a bimodal distribution of superparamagnetic clusters at lower temperatures, developed possibly due to the cluster size distribution. However, in Nb-substituted alloys, cluster size reduces and cluster density increases, which further reduces coupling between the clusters, resulting in a state of increased magnetic disorder up to a plausible 20% substitution. Concurrently resistivity increases at lower temperatures and shows a deviation from semiconductor like transport, which can be explained in terms of increasing spin dependent scattering and decreasing inter cluster interaction due to iso-electronic-but-larger-sized Nb substitution at V site. Present experimental results corroborate well with the theoretical predictions made in the literature.     

A giant enhancement of magnetic moment in a ternary three-shell icosahedral cluster: Fe@Mn12@Au20

ABSTRACT

The average magnetic moment per atom of Mn₁₃ cluster is expected to be enhanced by doping or coating with a shell. Several ternary core–shell icosahedral clusters TM@Mn₁₂@Au₂₀ were constructed by combining substituting the central Mn with VIII elements (Fe, Co, Ni, Ru, Rh, Pd and Pt) and coating with a icosahedral Au₂₀ shell, and systematically studied by using the first-principles density functional method. Compared to Mn₁₃, Fe@Mn₁₂@Au₂₀ cluster shows a giant enhancement on total magnetic moment (52?µ_B) which can be greatly attributed to the ferromagnetic coupling between spin moments of atoms. Coating with Au₂₀ shell enlarged the average distances of TM-Mn and Mn-Mn and is a useful way to change the magnetic coupling style. By analysis of density of states and electron localisation functional, we can conclude that the weak hybridisation between Fe and Mn in Fe@Mn₁₂@Au₂₀ is propitious to maintain their original direction of spin moments of atoms and then form ferromagnetic coupling.     

Effect of Gd and Fe doping on magnetic properties of Al87Y5Ni8 amorphous alloy

In this paper we present and discuss magnetic properties of the Al₈₇Y₅Ni₈, Al₈₇Y₄Gd₁Ni₈, Al₈₇Gd₅Ni₈, Al₈₇Y₄Gd₁Ni₄Fe₄ and Al₈₇Gd₅Ni₄Fe₄ amorphous alloys. The examinations have been concentrated on a possible magnetic ordering at low temperatures and its modification by amorphous surroundings as well as different magnetic moment of alloying additions. It was shown that magnetic properties of the Al₈₇Y₅Ni₈ amorphous base alloy correspond to a superparamagnetic body with Ni magnetic clusters. Magnetic moment of Ni atom in amorphous aluminum matrix is found to be 0.3 μ_B that corresponds to less than 50 Ni atoms per one cluster. Gd doping of the base alloy leads to a decrease of the resultant magnetic moment of Ni clusters that can be explained by some antiferromagnetic coupling Ni-Gd and Ni-Ni within magnetic clusters.     

Compressibility of a two-dimensional electron gas in a parallel magnetic field

The thermodynamic compressibility of a two-dimensional electron system in the presence of an in-plane magnetic field is calculated. We use accurate correlation energy results from quantum Monte Carlo simulations to construct the ground state energy and obtain the critical magnetic field B_c required to fully spin polarize the system. Inverse compressibility as a function of density shows a kink-like behavior in the presence of an applied magnetic field, which can be identified as B_c. Our calculations suggest an alternative approach to transport measurements of determining full spin polarization.     

Direct observation of long range ferromagnetic order in the reentrant superconductor HoMo6S8

The neutron scattering technique has been used to investigate the magnetic properties of the ternary Chevrel-phase superconductor HoMo₆S₈. Magnetic critical scattering is observed in the superconducting phase, with the magnetic correlation range increasing with decreasing temperature. At the transition in which the normal state is reentered, the system is found to develop long range ferromagnetic order, with a saturated magnetic moment at low temperatures of 9.06 ± .3 μ_B and the spin direction along the unique [111] trigonal axis.     

Positive muon spectroscopy of R2Fe14B

Muon spin rotation (μSR) experiments were performed on polycrystalline samples of R₂Fe₁₄B in zero applied field. In all samples a single spin precession frequency was observed. In Nd₂Fe₁₄B and Ho₂Fe₁₄B pronounced anomalies showed up in the temperature dependence of the μSR frequencies at the spin reorientation temperatures of 150 K and 60 K, respectively. Our data can be explained with the assumption that only thec-axis component of the magnetization is sampled by the muon. We find a strong dependence of the local field on the magnetic moment of the rare earth ion. This is in accordance with calculations of the dipolar fields at the assumed muon stopping site.     

Magnetic hyperfine field changes at different Fe-sites below spin reorientation temperature in polycrystalline untextured Nd2Fe14B

In order to estimate the magnetic hyperfine fields at different sites, an analysis of the Mössbauer spectra of polycrystalline untextured Nd₂Fe₁₄B, recorded at temperatures above and below the spin reorientation temperature T_s(≈150 K), has been made. Here the signs of the electric field gradients (efg) and the principal axes of efg components have been constrained according to the available crystal structure information below and above T_s. It has been observed that the magnetic hyperfine field changes are similar to the recently reported magnetic moment changes at different sites in an isostructural alloy Tm₂Fe₁₄B.